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Information card for entry 1577320
Preview
| Coordinates | 1577320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CCD2 |
|---|---|
| Formula | C34 H26 O8 |
| Calculated formula | C34 H26 O8 |
| Title of publication | Poly(chromenochromenedione) (PCCD): a structural isomer of poly(benzodifurandione) (PBDF) |
| Authors of publication | Pal, Uttam; Woolard, Reed M.; Rout, Priyanka; Samal, Sanket; Kuila, Suman; Rahat, Md Masudur Rahman; Shen, Guancheng; Laskin, Julia; Barlow, Stephen; Marder, Seth R.; Hutchison, Geoffrey R.; Mei, Jianguo |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2026 |
| a | 6.7456 ± 0.0007 Å |
| b | 10.5361 ± 0.0011 Å |
| c | 19.337 ± 0.0018 Å |
| α | 76.704 ± 0.004° |
| β | 81.939 ± 0.005° |
| γ | 85.572 ± 0.007° |
| Cell volume | 1322.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306138 (current) | 2026-05-30 | cif/ Adding structures of 1577320 via cif-deposit CGI script. |
1577320.cif |
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